Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13540719 | 0.86 | CXCR4 (0.57) | CXCR4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9906717 | 0.82 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL22917361 | 0.82 | CXCR4 (0.56) | CXCR4HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL9906688 | 0.82 | KMT2A (0.45) | CXCR4MEN1KMT2A | |
| SCHEMBL9906714 | 0.81 | SLC2A1 (0.39) | CXCR4KMT2AKCNH2 | |
| SCHEMBL9906698 | 0.80 | CXCR4 (0.49) | CXCR4MEN1KMT2A | |
| SCHEMBL9906700 | 0.78 | NPC1 (0.63) | CXCR4BCHE | |
| SCHEMBL9906707 | 0.76 | CXCR4 (0.51) | CXCR4HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL20625943 | 0.75 | CXCR4 (0.53) | CXCR4HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL18088394 | 0.75 | RAB9A (0.60) | CXCR4HDAC3HDAC4HDAC1HDAC8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198303-B2 | Methods of use and compositions for the diagnosis and treatment of infectious diseases | SEQUELLA, INC. (US) | 2012-06-12 | — | — | US | disclosed |